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6ETQ
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BU of 6etq by Molmil
Atomic resolution structure of RNase A (data collection 7)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
1GXO
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BU of 1gxo by Molmil
Mutant D189A of Family 10 polysaccharide lyase from Cellvibrio cellulosa in complex with trigalaturonic acid
Descriptor: CALCIUM ION, PECTATE LYASE, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
Authors:Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J.
Deposit date:2002-04-08
Release date:2002-10-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases
Proc.Natl.Acad.Sci.USA, 99, 2002
4H25
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BU of 4h25 by Molmil
TCR interaction with peptide mimics of nickel offers structure insights to nickel contact allergy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Kappler, J.W, Yin, L, Dai, S, Marrack, P, Crawford, F.
Deposit date:2012-09-12
Release date:2013-10-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:T-cell receptor (TCR) interaction with peptides that mimic nickel offers insight into nickel contact allergy.
Proc.Natl.Acad.Sci.USA, 109, 2012
6ETN
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BU of 6etn by Molmil
Atomic resolution structure of RNase A (data collection 4)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
6FAK
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BU of 6fak by Molmil
Human afamin orthorhombic crystal form by controlled hydration
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rupp, B, Naschberger, A, Bowler, M.W.
Deposit date:2017-12-15
Release date:2019-01-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin.
Acta Crystallogr D Struct Biol, 75, 2019
4L52
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BU of 4l52 by Molmil
Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1
Descriptor: 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
Descriptor: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-01-28
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
7L64
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C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Lewis-a
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
3W8J
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BU of 3w8j by Molmil
Crystal structure of P5 a0 in a complex with Prx4 c-term
Descriptor: C-terminal peptide from Peroxiredoxin-4, GLYCEROL, POTASSIUM ION, ...
Authors:Inaba, K, Suzuki, M, Kojima, R.
Deposit date:2013-03-13
Release date:2013-09-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synergistic cooperation of PDI family members in peroxiredoxin 4-driven oxidative protein folding
Sci Rep, 3, 2013
7L65
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BU of 7l65 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Methyl-GlcNAc
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
4IIS
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BU of 4iis by Molmil
Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), An allergen from Hevea Brasiliensis (Space group P41)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase form 'RRII Gln 2', CACODYLATE ION, ...
Authors:Rodriguez-Romero, A, Hernandez-Santoyo, A.
Deposit date:2012-12-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6676 Å)
Cite:Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils.
Acta Crystallogr.,Sect.D, 70, 2014
3VWW
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BU of 3vww by Molmil
Crystal structure of a0-domain of P5 from H. sapiens
Descriptor: PHOSPHATE ION, Protein disulfide-isomerase A6
Authors:Inaba, K, Suzuki, M.
Deposit date:2012-09-03
Release date:2013-09-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Synergistic cooperation of PDI family members in peroxiredoxin 4-driven oxidative protein folding
Sci Rep, 3, 2013
3QV7
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BU of 3qv7 by Molmil
Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with ponceau S and acid blue 25.
Descriptor: 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid, POTASSIUM ION, ...
Authors:Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-02-25
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV6
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BU of 3qv6 by Molmil
Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with acid blue 80.
Descriptor: 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-02-25
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV8
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BU of 3qv8 by Molmil
Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid.
Descriptor: 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase
Authors:Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-02-25
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
8EJA
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BU of 8eja by Molmil
Computational design of potent and selective inhibitors of Bak and Bax
Descriptor: aBAK
Authors:Bera, A.K, Berger, S.A, Baker, D.
Deposit date:2022-09-16
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Computational design of potent and selective inhibitors of Bak and Bax
To Be Published
4N7C
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BU of 4n7c by Molmil
Structural re-examination of native Bla g 4
Descriptor: 4-(2-aminoethyl)phenol, Bla g 4 allergen variant 1, CITRIC ACID, ...
Authors:Offermann, L.R, Chan, S.L, Osinski, T, Tan, Y.W, Chew, F.T, Sivaraman, J, Mok, Y.K, Minor, W, Chruszcz, M.
Deposit date:2013-10-15
Release date:2014-05-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The major cockroach allergen Bla g 4 binds tyramine and octopamine.
Mol.Immunol., 60, 2014
8FQC
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BU of 8fqc by Molmil
Structure of baseplate with receptor binding complex of Agrobacterium phage Milano
Descriptor: Baseplate Centerpiece, gp25, Baseplate Central Spike, ...
Authors:Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
Deposit date:2023-01-05
Release date:2024-01-31
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
8FOU
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BU of 8fou by Molmil
Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-tube
Descriptor: Virion-associated protein
Authors:Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
Deposit date:2023-01-03
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
8FOY
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BU of 8foy by Molmil
Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-sheath
Descriptor: Tail sheath protein
Authors:Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
Deposit date:2023-01-03
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
8FOP
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BU of 8fop by Molmil
Structure of Agrobacterium tumefaciens bacteriophage Milano curved tail
Descriptor: Tail sheath protein, Virion-associated protein
Authors:Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
Deposit date:2023-01-03
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
8GJV
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BU of 8gjv by Molmil
Chemical synthesis of maxamycins: Intermediate compound 10
Descriptor: Intermediate compound 10 for maxamycins synthesis, METHANOL
Authors:Stanfield, R.L, Moore, M.J, Boger, D.L.
Deposit date:2023-03-16
Release date:2023-06-21
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Divergent Total Synthesis and Characterization of Maxamycins.
J.Am.Chem.Soc., 145, 2023
3QV9
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BU of 3qv9 by Molmil
Crystal structure of Trypanosoma cruzi pyruvate kinase(TcPYK)in complex with ponceau S.
Descriptor: 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-02-25
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
4IAQ
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BU of 4iaq by Molmil
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target)
Descriptor: Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine
Authors:Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
4IAR
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BU of 4iar by Molmil
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target)
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine
Authors:Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013

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數據於2024-10-16公開中

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